6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide

C31H45N7O5 — CID 146656883

IUPAC6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide
SMILESNC(=O)C1CCC(N[C@H]2CCCC[C@H]2N)NC1Nc1cc2c(c(C3COC4C(=O)C=C(N5CCOCC5)OC43)c1)NCC2
InChIInChI=1S/C31H45N7O5/c32-22-3-1-2-4-23(22)36-25-6-5-19(30(33)40)31(37-25)35-18-13-17-7-8-34-27(17)20(14-18)21-16-42-29-24(39)15-26(43-28(21)29)38-9-11-41-12-10-38/h13-15,19,21-23,25,28-29,31,34-37H,1-12,16,32H2,(H2,33,40)/t19?,21?,22-,23+,25?,28?,29?,31?/m1/s1
InChIKeySGEHWWAXYRZYKK-RDTJWJEGSA-N
MW595.75 g/mol
LogP0.69
Rot. Bonds7

About 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide

6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide (PubChem CID 146656883) has the molecular formula C31H45N7O5 and a molecular weight of 595.75 g/mol. Its IUPAC name is 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide
PubChem CID146656883
Molecular FormulaC31H45N7O5
Molecular Weight595.75 g/mol
Exact Mass595.35
IUPAC Name6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide
SMILESNC(=O)C1CCC(N[C@H]2CCCC[C@H]2N)NC1Nc1cc2c(c(C3COC4C(=O)C=C(N5CCOCC5)OC43)c1)NCC2
InChIInChI=1S/C31H45N7O5/c32-22-3-1-2-4-23(22)36-25-6-5-19(30(33)40)31(37-25)35-18-13-17-7-8-34-27(17)20(14-18)21-16-42-29-24(39)15-26(43-28(21)29)38-9-11-41-12-10-38/h13-15,19,21-23,25,28-29,31,34-37H,1-12,16,32H2,(H2,33,40)/t19?,21?,22-,23+,25?,28?,29?,31?/m1/s1
InChIKeySGEHWWAXYRZYKK-RDTJWJEGSA-N
XLogP0.69
TPSA165.23 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500595.75
LogP ≤ 50.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide with MolForge

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Related Compounds

[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-1,2-oxazolidin-3-yl]amino]-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium
CID 166002178
[(1R,2S)-2-[[8-carbamoyl-7-[[2-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-1,3-thiazolidin-5-yl]amino]-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium
CID 166002103
3,3-diamino-2-[[[[(1S,2R)-2-aminocyclohexyl]amino]methylamino]-[[3-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrothieno[3,2-b]pyran-3-yl)-1,2-thiazolidin-5-yl]amino]methyl]propanamide
CID 166002181
[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrothiopyrano[3,2-b]furan-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-7-yl]amino]-1,2,3,5,6,7,8,8a-octahydro-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]cyclohexyl]azanium
CID 166002111
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56599747
N-(2-aminocyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040267
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)-2,3,4,4a,6,7,8,8a-octahydro-1H-pyrido[4,3-d]pyrimidin-5-one
CID 131954263
trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 102731235
2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 63180098
N-[(1R,2R)-2-aminocyclohexyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 103829364
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(3-morpholin-4-ylphenyl)anilino]pyrimidine-5-carboxamide
CID 57471960
[(Z)-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)amino] N-phenylcarbamate
CID 134111044

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide?
The IUPAC name of 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide (CID 146656883) is 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide.
What is the SMILES notation for 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide?
The canonical SMILES for 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide is NC(=O)C1CCC(N[C@H]2CCCC[C@H]2N)NC1Nc1cc2c(c(C3COC4C(=O)C=C(N5CCOCC5)OC43)c1)NCC2.
What is the InChIKey of 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide?
The InChIKey is SGEHWWAXYRZYKK-RDTJWJEGSA-N. The full InChI is InChI=1S/C31H45N7O5/c32-22-3-1-2-4-23(22)36-25-6-5-19(30(33)40)31(37-25)35-18-13-17-7-8-34-27(17)20(14-18)21-16-42-29-24(39)15-26(43-28(21)29)38-9-11-41-12-10-38/h13-15,19,21-23,25,28-29,31,34-37H,1-12,16,32H2,(H2,33,40)/t19?,21?,22-,23+,25?,28?,29?,31?/m1/s1.
What are the key properties of 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide?
6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide has a molecular weight of 595.75 g/mol, XLogP of 0.69, 7 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2R)-2-aminocyclohexyl]amino]-2-[[7-(5-morpholin-4-yl-7-oxo-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-3-yl)-2,3-dihydro-1H-indol-5-yl]amino]piperidine-3-carboxamide is sourced from PubChem (CID 146656883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).